Found 13 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM24089
((5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-...)Show SMILES CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6| Show InChI InChI=1S/C21H24F2N4O/c1-26(2)20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(25-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,6,11-12,14,24H2,1-2H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209228
((S)-2-(3-aminopropyl)-4-(2,5-difluorophenyl)-N,N-d...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209230
((S)-2-((S)-3-amino-4,4-difluorobutyl)-4-(2,5-diflu...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C23H25F4N3O/c1-29(2)22(31)30-14-15(18-12-17(24)8-9-19(18)25)13-23(30,11-10-20(28)21(26)27)16-6-4-3-5-7-16/h3-9,12-13,20-21H,10-11,14,28H2,1-2H3/t20-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209232
((S)-4-(2,5-difluorophenyl)-2-(3-(2-fluoroethylamin...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCNCCF)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C24H28F3N3O/c1-29(2)23(31)30-17-18(21-15-20(26)9-10-22(21)27)16-24(30,11-6-13-28-14-12-25)19-7-4-3-5-8-19/h3-5,7-10,15-16,28H,6,11-14,17H2,1-2H3/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209227
((S)-4-(2,5-difluorophenyl)-2-(3-(ethylamino)propyl...)Show SMILES CCNCCC[C@]1(C=C(CN1C(=O)N(C)C)c1cc(F)ccc1F)c1ccccc1 |c:7| Show InChI InChI=1S/C24H29F2N3O/c1-4-27-14-8-13-24(19-9-6-5-7-10-19)16-18(17-29(24)23(30)28(2)3)21-15-20(25)11-12-22(21)26/h5-7,9-12,15-16,27H,4,8,13-14,17H2,1-3H3/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209229
((S)-2-(3-(2,2-difluoroethylamino)propyl)-4-(2,5-di...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCNCC(F)F)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C24H27F4N3O/c1-30(2)23(32)31-16-17(20-13-19(25)9-10-21(20)26)14-24(31,18-7-4-3-5-8-18)11-6-12-29-15-22(27)28/h3-5,7-10,13-14,22,29H,6,11-12,15-16H2,1-2H3/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209228
((S)-2-(3-aminopropyl)-4-(2,5-difluorophenyl)-N,N-d...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP in KBV1 cells overexpressing Pgp |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209230
((S)-2-((S)-3-amino-4,4-difluorobutyl)-4-(2,5-diflu...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C23H25F4N3O/c1-29(2)22(31)30-14-15(18-12-17(24)8-9-19(18)25)13-23(30,11-10-20(28)21(26)27)16-6-4-3-5-7-16/h3-9,12-13,20-21H,10-11,14,28H2,1-2H3/t20-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP in KB31 cells |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209231
((S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCNCC(F)(F)F)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C24H26F5N3O/c1-31(2)22(33)32-15-17(20-13-19(25)9-10-21(20)26)14-23(32,18-7-4-3-5-8-18)11-6-12-30-16-24(27,28)29/h3-5,7-10,13-14,30H,6,11-12,15-16H2,1-2H3/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50209230
((S)-2-((S)-3-amino-4,4-difluorobutyl)-4-(2,5-diflu...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C23H25F4N3O/c1-29(2)22(31)30-14-15(18-12-17(24)8-9-19(18)25)13-23(30,11-10-20(28)21(26)27)16-6-4-3-5-7-16/h3-9,12-13,20-21H,10-11,14,28H2,1-2H3/t20-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP in KBV1 cells overexpressing Pgp |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50209228
((S)-2-(3-aminopropyl)-4-(2,5-difluorophenyl)-N,N-d...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hERG expressed in CHO cells by cell voltage clamp assay |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50209230
((S)-2-((S)-3-amino-4,4-difluorobutyl)-4-(2,5-diflu...)Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C23H25F4N3O/c1-29(2)22(31)30-14-15(18-12-17(24)8-9-19(18)25)13-23(30,11-10-20(28)21(26)27)16-6-4-3-5-7-16/h3-9,12-13,20-21H,10-11,14,28H2,1-2H3/t20-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hERG expressed in CHO cells by cell voltage clamp assay |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24089
((5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-...)Show SMILES CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6| Show InChI InChI=1S/C21H24F2N4O/c1-26(2)20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(25-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,6,11-12,14,24H2,1-2H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hERG expressed in CHO cells by cell voltage clamp assay |
Bioorg Med Chem Lett 17: 2697-702 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.006 BindingDB Entry DOI: 10.7270/Q26Q1WXZ |
More data for this Ligand-Target Pair | |